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N-[3-[2-(4-FLUOROPHENYL)-THIAZOL-4-YL]-(RS)-2-MERCAPTOPROPANOYL]-PHENYLALANINE-METHYLESTER

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N-[3-[2-(4-FLUOROPHENYL)-THIAZOL-4-YL]-(RS)-2-MERCAPTOPROPANOYL]-PHENYLALANINE-METHYLESTER
SpectraBase Compound ID 8j9YNu3K5oK
InChI InChI=1S/C22H21FN2O3S2/c1-28-22(27)18(11-14-5-3-2-4-6-14)25-20(26)19(29)12-17-13-30-21(24-17)15-7-9-16(23)10-8-15/h2-10,13,18-19,29H,11-12H2,1H3,(H,25,26)/t18-,19?/m0/s1
InChIKey XVDJUWLOMROAAS-OYKVQYDMSA-N
Mol Weight 444.54 g/mol
Molecular Formula C22H21FN2O3S2
Exact Mass 444.097763 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cag0h1X1Yx7
Name N-[3-[2-(4-FLUOROPHENYL)-THIAZOL-4-YL]-(RS)-2-MERCAPTOPROPANOYL]-PHENYLALANINE-METHYLESTER
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H21FN2O3S2
InChI InChI=1S/C22H21FN2O3S2/c1-28-22(27)18(11-14-5-3-2-4-6-14)25-20(26)19(29)12-17-13-30-21(24-17)15-7-9-16(23)10-8-15/h2-10,13,18-19,29H,11-12H2,1H3,(H,25,26)/t18-,19?/m0/s1
InChIKey XVDJUWLOMROAAS-OYKVQYDMSA-N
Literature Reference Author K.PUMPOR,E.WINDEISEN,K.BURGER
Literature Reference Citation J.HETCYCL.CHEM.,40,435(2003)
Literature Reference DOI 10.1002/jhet.5570400306
Molecular Weight 444.539 g/mol
Solvent ACETONE-D6
Source File Reference UWMS22594